38 citations · 48 across the 3 of their papers we have counts for
3 papers
q-bio.BM2019★ 38 cited
Perturbation Potentials to Overcome Order/Disorder Transitions in Alchemical Binding Free Energy Calculations
Rajat Kumar Pal, Emilio Gallicchio
We investigate the role of order/disorder transitions in alchemical simulations of protein-ligand absolute binding free energies. We show, in the context of a potential of mean for…
physics.bio-ph2019★ 10 cited
Inclusion of Enclosed Hydration Effects in the Binding Free Energy Estimation of Dopamine D3 Receptor Complexes
Rajat Kumar Pal, Steve Ramsey, Satishkumar Gadhiya +5
Confined hydration and conformational flexibility are some of the challenges encountered for the rational design of selective antagonists of G-protein coupled receptors. We present…
cs.AI2015
Recurrent Neural Network Based Modeling of Gene Regulatory Network Using Bat Algorithm
Sudip Mandal, Goutam Saha, Rajat K. Pal
Correct inference of genetic regulations inside a cell is one of the greatest challenges in post genomic era for the biologist and researchers. Several intelligent techniques and m…